1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine

C13H21NO2 — CID 16788840

IUPAC1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
SMILESCOc1cc(C(C)N)ccc1OCC(C)C
InChIInChI=1S/C13H21NO2/c1-9(2)8-16-12-6-5-11(10(3)14)7-13(12)15-4/h5-7,9-10H,8,14H2,1-4H3
InChIKeyFKUDRWRDOHHYGQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.75
Rot. Bonds5

About 1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine

1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine (PubChem CID 16788840) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
PubChem CID16788840
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
SMILESCOc1cc(C(C)N)ccc1OCC(C)C
InChIInChI=1S/C13H21NO2/c1-9(2)8-16-12-6-5-11(10(3)14)7-13(12)15-4/h5-7,9-10H,8,14H2,1-4H3
InChIKeyFKUDRWRDOHHYGQ-UHFFFAOYSA-N
XLogP2.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 50896740
(1S)-1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 78932669
(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine
CID 89490025
(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
CID 80699992
1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol
CID 83952575
3-amino-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propanoic acid
CID 25219626
1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60880342
1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60879775
(1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 78960200
(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
CID 30078360
(1S)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanamine
CID 78936706

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine (CID 16788840) is 1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine is COc1cc(C(C)N)ccc1OCC(C)C.
What is the InChIKey of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine?
The InChIKey is FKUDRWRDOHHYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(2)8-16-12-6-5-11(10(3)14)7-13(12)15-4/h5-7,9-10H,8,14H2,1-4H3.
What are the key properties of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine?
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 16788840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).